USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.26) USER MOD Single : A 57 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.67) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0863) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.431 F(o=-2.1,f=-0.43) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.339) USER MOD Single : A 90 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.4) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -91:sc= 1.2 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.778 32.096 17.069 1.00 53.04 N ATOM 281 CA LYS A 23 -6.940 31.429 16.491 1.00 43.13 C ATOM 282 C LYS A 23 -6.621 30.889 15.101 1.00 22.45 C ATOM 283 O LYS A 23 -6.445 29.684 14.918 1.00 22.14 O ATOM 284 CB LYS A 23 -8.124 32.397 16.417 1.00 55.33 C ATOM 285 CG LYS A 23 -7.712 33.849 16.246 1.00 71.04 C ATOM 286 CD LYS A 23 -8.746 34.632 15.454 1.00 73.33 C ATOM 287 CE LYS A 23 -8.808 34.168 14.006 1.00 45.34 C ATOM 288 NZ LYS A 23 -9.599 35.102 13.158 1.00 1.43 N ATOM 0 HA LYS A 23 -7.205 30.590 17.134 1.00 43.13 H new ATOM 0 HB2 LYS A 23 -8.766 32.110 15.584 1.00 55.33 H new ATOM 0 HB3 LYS A 23 -8.718 32.301 17.326 1.00 55.33 H new ATOM 0 HG2 LYS A 23 -7.578 34.308 17.226 1.00 71.04 H new ATOM 0 HG3 LYS A 23 -6.749 33.898 15.737 1.00 71.04 H new ATOM 0 HD2 LYS A 23 -9.726 34.515 15.917 1.00 73.33 H new ATOM 0 HD3 LYS A 23 -8.503 35.694 15.487 1.00 73.33 H new ATOM 0 HE2 LYS A 23 -7.797 34.084 13.608 1.00 45.34 H new ATOM 0 HE3 LYS A 23 -9.252 33.173 13.962 1.00 45.34 H new ATOM 0 HZ1 LYS A 23 -9.618 34.751 12.179 1.00 1.43 H new ATOM 0 HZ2 LYS A 23 -10.571 35.163 13.522 1.00 1.43 H new ATOM 0 HZ3 LYS A 23 -9.162 36.045 13.179 1.00 1.43 H new ATOM 298 N SER A 24 -6.548 31.788 14.125 1.00 52.42 N ATOM 299 CA SER A 24 -6.253 31.401 12.751 1.00 14.12 C ATOM 300 C SER A 24 -5.226 30.273 12.712 1.00 74.14 C ATOM 301 O SER A 24 -5.242 29.434 11.810 1.00 45.03 O ATOM 302 CB SER A 24 -5.735 32.604 11.959 1.00 54.43 C ATOM 303 OG SER A 24 -6.593 32.908 10.873 1.00 72.43 O ATOM 0 H SER A 24 -6.689 32.789 14.260 1.00 52.42 H new ATOM 0 HA SER A 24 -7.177 31.045 12.295 1.00 14.12 H new ATOM 0 HB2 SER A 24 -5.656 33.469 12.617 1.00 54.43 H new ATOM 0 HB3 SER A 24 -4.732 32.394 11.587 1.00 54.43 H new ATOM 0 HG SER A 24 -6.241 33.681 10.384 1.00 72.43 H new ATOM 308 N TYR A 25 -4.335 30.258 13.697 1.00 21.44 N ATOM 309 CA TYR A 25 -3.299 29.236 13.776 1.00 73.03 C ATOM 310 C TYR A 25 -3.833 27.970 14.439 1.00 55.13 C ATOM 311 O TYR A 25 -3.790 26.885 13.857 1.00 32.04 O ATOM 312 CB TYR A 25 -2.092 29.761 14.553 1.00 43.14 C ATOM 313 CG TYR A 25 -1.493 31.019 13.965 1.00 20.33 C ATOM 314 CD1 TYR A 25 -2.216 32.206 13.931 1.00 34.41 C ATOM 315 CD2 TYR A 25 -0.206 31.021 13.443 1.00 15.14 C ATOM 316 CE1 TYR A 25 -1.675 33.356 13.394 1.00 4.53 C ATOM 317 CE2 TYR A 25 0.345 32.168 12.905 1.00 30.04 C ATOM 318 CZ TYR A 25 -0.393 33.334 12.882 1.00 73.31 C ATOM 319 OH TYR A 25 0.151 34.478 12.347 1.00 33.12 O ATOM 0 H TYR A 25 -4.310 30.943 14.452 1.00 21.44 H new ATOM 0 HA TYR A 25 -2.989 28.990 12.760 1.00 73.03 H new ATOM 0 HB2 TYR A 25 -2.391 29.958 15.582 1.00 43.14 H new ATOM 0 HB3 TYR A 25 -1.327 28.986 14.586 1.00 43.14 H new ATOM 0 HD1 TYR A 25 -3.219 32.228 14.332 1.00 34.41 H new ATOM 0 HD2 TYR A 25 0.374 30.110 13.458 1.00 15.14 H new ATOM 0 HE1 TYR A 25 -2.252 34.269 13.374 1.00 4.53 H new ATOM 0 HE2 TYR A 25 1.348 32.152 12.505 1.00 30.04 H new ATOM 0 HH TYR A 25 1.060 34.292 12.032 1.00 33.12 H new ATOM 328 N ALA A 26 -4.337 28.116 15.660 1.00 14.24 N ATOM 329 CA ALA A 26 -4.882 26.987 16.401 1.00 61.34 C ATOM 330 C ALA A 26 -6.199 26.515 15.794 1.00 41.35 C ATOM 331 O ALA A 26 -6.391 25.323 15.556 1.00 61.10 O ATOM 332 CB ALA A 26 -5.077 27.360 17.864 1.00 52.25 C ATOM 0 H ALA A 26 -4.379 29.006 16.157 1.00 14.24 H new ATOM 0 HA ALA A 26 -4.168 26.165 16.338 1.00 61.34 H new ATOM 0 HB1 ALA A 26 -5.485 26.507 18.406 1.00 52.25 H new ATOM 0 HB2 ALA A 26 -4.118 27.641 18.299 1.00 52.25 H new ATOM 0 HB3 ALA A 26 -5.768 28.200 17.936 1.00 52.25 H new ATOM 338 N GLU A 27 -7.103 27.458 15.548 1.00 75.01 N ATOM 339 CA GLU A 27 -8.402 27.136 14.970 1.00 22.44 C ATOM 340 C GLU A 27 -8.247 26.232 13.750 1.00 2.14 C ATOM 341 O GLU A 27 -8.811 25.139 13.700 1.00 23.23 O ATOM 342 CB GLU A 27 -9.142 28.417 14.578 1.00 3.13 C ATOM 343 CG GLU A 27 -10.581 28.184 14.150 1.00 73.23 C ATOM 344 CD GLU A 27 -11.583 28.731 15.147 1.00 62.43 C ATOM 345 OE1 GLU A 27 -11.388 29.870 15.620 1.00 64.44 O ATOM 346 OE2 GLU A 27 -12.562 28.020 15.456 1.00 15.20 O ATOM 0 H GLU A 27 -6.960 28.450 15.740 1.00 75.01 H new ATOM 0 HA GLU A 27 -8.984 26.604 15.723 1.00 22.44 H new ATOM 0 HB2 GLU A 27 -9.130 29.106 15.423 1.00 3.13 H new ATOM 0 HB3 GLU A 27 -8.604 28.902 13.764 1.00 3.13 H new ATOM 0 HG2 GLU A 27 -10.748 28.652 13.180 1.00 73.23 H new ATOM 0 HG3 GLU A 27 -10.749 27.115 14.021 1.00 73.23 H new ATOM 351 N GLN A 28 -7.480 26.698 12.770 1.00 55.54 N ATOM 352 CA GLN A 28 -7.251 25.932 11.550 1.00 73.31 C ATOM 353 C GLN A 28 -6.905 24.483 11.875 1.00 73.01 C ATOM 354 O GLN A 28 -7.357 23.560 11.198 1.00 42.02 O ATOM 355 CB GLN A 28 -6.128 26.566 10.728 1.00 50.42 C ATOM 356 CG GLN A 28 -6.619 27.294 9.487 1.00 43.23 C ATOM 357 CD GLN A 28 -5.602 27.284 8.363 1.00 42.55 C ATOM 358 OE1 GLN A 28 -4.494 27.805 8.508 1.00 73.32 O ATOM 359 NE2 GLN A 28 -5.971 26.690 7.235 1.00 43.11 N ATOM 0 H GLN A 28 -7.007 27.601 12.796 1.00 55.54 H new ATOM 0 HA GLN A 28 -8.170 25.944 10.965 1.00 73.31 H new ATOM 0 HB2 GLN A 28 -5.580 27.267 11.357 1.00 50.42 H new ATOM 0 HB3 GLN A 28 -5.425 25.789 10.429 1.00 50.42 H new ATOM 0 HG2 GLN A 28 -7.543 26.830 9.140 1.00 43.23 H new ATOM 0 HG3 GLN A 28 -6.858 28.325 9.746 1.00 43.23 H new ATOM 0 HE21 GLN A 28 -6.898 26.272 7.159 1.00 43.11 H new ATOM 0 HE22 GLN A 28 -5.328 26.652 6.445 1.00 43.11 H new ATOM 366 N GLY A 29 -6.098 24.290 12.914 1.00 53.02 N ATOM 367 CA GLY A 29 -5.705 22.950 13.309 1.00 52.30 C ATOM 368 C GLY A 29 -6.853 22.159 13.902 1.00 21.14 C ATOM 369 O GLY A 29 -7.140 21.044 13.465 1.00 34.54 O ATOM 0 H GLY A 29 -5.710 25.038 13.489 1.00 53.02 H new ATOM 0 HA2 GLY A 29 -5.313 22.420 12.441 1.00 52.30 H new ATOM 0 HA3 GLY A 29 -4.896 23.012 14.037 1.00 52.30 H new ATOM 372 N LYS A 30 -7.514 22.735 14.900 1.00 5.21 N ATOM 373 CA LYS A 30 -8.639 22.077 15.555 1.00 43.24 C ATOM 374 C LYS A 30 -9.738 21.751 14.550 1.00 71.14 C ATOM 375 O LYS A 30 -10.265 20.639 14.534 1.00 20.12 O ATOM 376 CB LYS A 30 -9.198 22.966 16.669 1.00 54.31 C ATOM 377 CG LYS A 30 -8.938 22.427 18.064 1.00 23.41 C ATOM 378 CD LYS A 30 -8.382 23.503 18.983 1.00 34.21 C ATOM 379 CE LYS A 30 -6.864 23.575 18.901 1.00 70.42 C ATOM 380 NZ LYS A 30 -6.213 22.795 19.991 1.00 24.43 N ATOM 0 H LYS A 30 -7.290 23.657 15.274 1.00 5.21 H new ATOM 0 HA LYS A 30 -8.280 21.144 15.989 1.00 43.24 H new ATOM 0 HB2 LYS A 30 -8.758 23.960 16.585 1.00 54.31 H new ATOM 0 HB3 LYS A 30 -10.273 23.080 16.527 1.00 54.31 H new ATOM 0 HG2 LYS A 30 -9.865 22.034 18.482 1.00 23.41 H new ATOM 0 HG3 LYS A 30 -8.235 21.596 18.009 1.00 23.41 H new ATOM 0 HD2 LYS A 30 -8.808 24.469 18.714 1.00 34.21 H new ATOM 0 HD3 LYS A 30 -8.683 23.297 20.010 1.00 34.21 H new ATOM 0 HE2 LYS A 30 -6.534 23.194 17.935 1.00 70.42 H new ATOM 0 HE3 LYS A 30 -6.546 24.616 18.959 1.00 70.42 H new ATOM 0 HZ1 LYS A 30 -5.180 22.869 19.901 1.00 24.43 H new ATOM 0 HZ2 LYS A 30 -6.508 23.174 20.913 1.00 24.43 H new ATOM 0 HZ3 LYS A 30 -6.496 21.797 19.921 1.00 24.43 H new ATOM 390 N GLU A 31 -10.077 22.726 13.712 1.00 71.00 N ATOM 391 CA GLU A 31 -11.113 22.540 12.704 1.00 32.10 C ATOM 392 C GLU A 31 -10.956 21.193 12.003 1.00 64.44 C ATOM 393 O GLU A 31 -11.940 20.572 11.600 1.00 2.30 O ATOM 394 CB GLU A 31 -11.064 23.671 11.675 1.00 42.12 C ATOM 395 CG GLU A 31 -11.426 25.031 12.248 1.00 20.14 C ATOM 396 CD GLU A 31 -12.692 25.602 11.640 1.00 13.25 C ATOM 397 OE1 GLU A 31 -12.696 25.867 10.419 1.00 2.13 O ATOM 398 OE2 GLU A 31 -13.678 25.783 12.383 1.00 31.51 O ATOM 0 H GLU A 31 -9.649 23.652 13.712 1.00 71.00 H new ATOM 0 HA GLU A 31 -12.080 22.558 13.207 1.00 32.10 H new ATOM 0 HB2 GLU A 31 -10.062 23.720 11.249 1.00 42.12 H new ATOM 0 HB3 GLU A 31 -11.746 23.437 10.858 1.00 42.12 H new ATOM 0 HG2 GLU A 31 -11.553 24.944 13.327 1.00 20.14 H new ATOM 0 HG3 GLU A 31 -10.602 25.724 12.078 1.00 20.14 H new ATOM 403 N TYR A 32 -9.712 20.749 11.861 1.00 61.52 N ATOM 404 CA TYR A 32 -9.424 19.478 11.207 1.00 62.00 C ATOM 405 C TYR A 32 -9.677 18.309 12.155 1.00 54.53 C ATOM 406 O TYR A 32 -10.106 17.234 11.731 1.00 43.40 O ATOM 407 CB TYR A 32 -7.976 19.449 10.718 1.00 40.33 C ATOM 408 CG TYR A 32 -7.533 18.093 10.217 1.00 11.45 C ATOM 409 CD1 TYR A 32 -7.306 17.044 11.098 1.00 65.12 C ATOM 410 CD2 TYR A 32 -7.342 17.861 8.860 1.00 10.45 C ATOM 411 CE1 TYR A 32 -6.901 15.804 10.644 1.00 41.00 C ATOM 412 CE2 TYR A 32 -6.938 16.624 8.396 1.00 34.32 C ATOM 413 CZ TYR A 32 -6.720 15.599 9.292 1.00 41.41 C ATOM 414 OH TYR A 32 -6.317 14.365 8.835 1.00 74.33 O ATOM 0 H TYR A 32 -8.887 21.250 12.190 1.00 61.52 H new ATOM 0 HA TYR A 32 -10.091 19.379 10.351 1.00 62.00 H new ATOM 0 HB2 TYR A 32 -7.857 20.179 9.918 1.00 40.33 H new ATOM 0 HB3 TYR A 32 -7.320 19.758 11.532 1.00 40.33 H new ATOM 0 HD1 TYR A 32 -7.449 17.200 12.157 1.00 65.12 H new ATOM 0 HD2 TYR A 32 -7.512 18.662 8.156 1.00 10.45 H new ATOM 0 HE1 TYR A 32 -6.727 15.000 11.343 1.00 41.00 H new ATOM 0 HE2 TYR A 32 -6.794 16.461 7.338 1.00 34.32 H new ATOM 0 HH TYR A 32 -6.238 14.388 7.858 1.00 74.33 H new ATOM 423 N ILE A 33 -9.409 18.527 13.437 1.00 51.14 N ATOM 424 CA ILE A 33 -9.608 17.492 14.445 1.00 22.34 C ATOM 425 C ILE A 33 -11.039 17.508 14.973 1.00 51.15 C ATOM 426 O ILE A 33 -11.765 16.520 14.860 1.00 63.15 O ATOM 427 CB ILE A 33 -8.635 17.662 15.627 1.00 54.13 C ATOM 428 CG1 ILE A 33 -7.228 17.212 15.225 1.00 22.11 C ATOM 429 CG2 ILE A 33 -9.125 16.876 16.833 1.00 54.53 C ATOM 430 CD1 ILE A 33 -6.511 18.199 14.331 1.00 43.22 C ATOM 0 H ILE A 33 -9.054 19.410 13.803 1.00 51.14 H new ATOM 0 HA ILE A 33 -9.412 16.536 13.959 1.00 22.34 H new ATOM 0 HB ILE A 33 -8.595 18.717 15.898 1.00 54.13 H new ATOM 0 HG12 ILE A 33 -6.635 17.052 16.126 1.00 22.11 H new ATOM 0 HG13 ILE A 33 -7.295 16.252 14.713 1.00 22.11 H new ATOM 0 HG21 ILE A 33 -8.427 17.006 17.660 1.00 54.53 H new ATOM 0 HG22 ILE A 33 -10.109 17.239 17.128 1.00 54.53 H new ATOM 0 HG23 ILE A 33 -9.190 15.819 16.576 1.00 54.53 H new ATOM 0 HD11 ILE A 33 -5.521 17.815 14.086 1.00 43.22 H new ATOM 0 HD12 ILE A 33 -7.082 18.341 13.414 1.00 43.22 H new ATOM 0 HD13 ILE A 33 -6.413 19.153 14.848 1.00 43.22 H new ATOM 441 N THR A 34 -11.439 18.637 15.549 1.00 44.33 N ATOM 442 CA THR A 34 -12.782 18.783 16.094 1.00 54.01 C ATOM 443 C THR A 34 -13.790 17.962 15.298 1.00 71.42 C ATOM 444 O THR A 34 -14.603 17.234 15.870 1.00 2.41 O ATOM 445 CB THR A 34 -13.229 20.257 16.101 1.00 60.22 C ATOM 446 OG1 THR A 34 -14.635 20.341 16.355 1.00 34.33 O ATOM 447 CG2 THR A 34 -12.906 20.927 14.774 1.00 31.21 C ATOM 0 H THR A 34 -10.851 19.464 15.650 1.00 44.33 H new ATOM 0 HA THR A 34 -12.748 18.417 17.120 1.00 54.01 H new ATOM 0 HB THR A 34 -12.686 20.775 16.892 1.00 60.22 H new ATOM 0 HG1 THR A 34 -14.911 21.281 16.359 1.00 34.33 H new ATOM 0 HG21 THR A 34 -13.231 21.967 14.803 1.00 31.21 H new ATOM 0 HG22 THR A 34 -11.831 20.887 14.599 1.00 31.21 H new ATOM 0 HG23 THR A 34 -13.424 20.407 13.968 1.00 31.21 H new ATOM 604 N PRO A 46 -11.426 -0.016 20.251 1.00 10.53 N ATOM 605 CA PRO A 46 -11.352 -0.183 21.705 1.00 41.21 C ATOM 606 C PRO A 46 -10.400 -1.303 22.111 1.00 42.21 C ATOM 607 O PRO A 46 -9.920 -1.340 23.244 1.00 41.21 O ATOM 608 CB PRO A 46 -12.789 -0.536 22.094 1.00 65.31 C ATOM 609 CG PRO A 46 -13.377 -1.141 20.867 1.00 13.05 C ATOM 610 CD PRO A 46 -12.727 -0.438 19.707 1.00 11.02 C ATOM 0 HA PRO A 46 -10.969 0.710 22.200 1.00 41.21 H new ATOM 0 HB2 PRO A 46 -12.812 -1.235 22.930 1.00 65.31 H new ATOM 0 HB3 PRO A 46 -13.344 0.350 22.404 1.00 65.31 H new ATOM 0 HG2 PRO A 46 -13.186 -2.213 20.830 1.00 13.05 H new ATOM 0 HG3 PRO A 46 -14.459 -1.009 20.847 1.00 13.05 H new ATOM 0 HD2 PRO A 46 -12.608 -1.101 18.850 1.00 11.02 H new ATOM 0 HD3 PRO A 46 -13.318 0.414 19.371 1.00 11.02 H new ATOM 615 N GLU A 47 -10.132 -2.213 21.181 1.00 54.31 N ATOM 616 CA GLU A 47 -9.237 -3.334 21.444 1.00 12.31 C ATOM 617 C GLU A 47 -7.797 -2.978 21.084 1.00 1.33 C ATOM 618 O GLU A 47 -6.864 -3.706 21.419 1.00 4.21 O ATOM 619 CB GLU A 47 -9.682 -4.567 20.655 1.00 44.22 C ATOM 620 CG GLU A 47 -11.073 -5.054 21.021 1.00 65.25 C ATOM 621 CD GLU A 47 -11.092 -6.517 21.423 1.00 33.23 C ATOM 622 OE1 GLU A 47 -10.460 -7.332 20.718 1.00 73.13 O ATOM 623 OE2 GLU A 47 -11.738 -6.846 22.438 1.00 25.34 O ATOM 0 H GLU A 47 -10.522 -2.196 20.238 1.00 54.31 H new ATOM 0 HA GLU A 47 -9.281 -3.558 22.510 1.00 12.31 H new ATOM 0 HB2 GLU A 47 -9.656 -4.335 19.590 1.00 44.22 H new ATOM 0 HB3 GLU A 47 -8.968 -5.373 20.824 1.00 44.22 H new ATOM 0 HG2 GLU A 47 -11.461 -4.450 21.842 1.00 65.25 H new ATOM 0 HG3 GLU A 47 -11.741 -4.905 20.173 1.00 65.25 H new ATOM 628 N ASP A 48 -7.627 -1.853 20.397 1.00 10.14 N ATOM 629 CA ASP A 48 -6.302 -1.399 19.991 1.00 32.43 C ATOM 630 C ASP A 48 -5.757 -0.365 20.971 1.00 64.43 C ATOM 631 O ASP A 48 -4.771 0.314 20.689 1.00 34.11 O ATOM 632 CB ASP A 48 -6.353 -0.806 18.582 1.00 31.02 C ATOM 633 CG ASP A 48 -5.005 -0.842 17.889 1.00 34.02 C ATOM 634 OD1 ASP A 48 -4.214 -1.764 18.177 1.00 75.45 O ATOM 635 OD2 ASP A 48 -4.741 0.051 17.057 1.00 63.24 O ATOM 0 H ASP A 48 -8.390 -1.239 20.110 1.00 10.14 H new ATOM 0 HA ASP A 48 -5.634 -2.261 19.991 1.00 32.43 H new ATOM 0 HB2 ASP A 48 -7.080 -1.357 17.985 1.00 31.02 H new ATOM 0 HB3 ASP A 48 -6.702 0.225 18.637 1.00 31.02 H new ATOM 639 N ASN A 49 -6.407 -0.252 22.125 1.00 71.21 N ATOM 640 CA ASN A 49 -5.989 0.701 23.148 1.00 51.44 C ATOM 641 C ASN A 49 -5.325 -0.017 24.320 1.00 11.52 C ATOM 642 O ASN A 49 -4.565 0.584 25.080 1.00 31.23 O ATOM 643 CB ASN A 49 -7.189 1.508 23.644 1.00 21.22 C ATOM 644 CG ASN A 49 -7.333 2.834 22.921 1.00 72.04 C ATOM 645 OD1 ASN A 49 -7.475 2.874 21.699 1.00 13.32 O ATOM 646 ND2 ASN A 49 -7.297 3.926 23.675 1.00 54.32 N ATOM 0 H ASN A 49 -7.225 -0.808 22.375 1.00 71.21 H new ATOM 0 HA ASN A 49 -5.263 1.381 22.702 1.00 51.44 H new ATOM 0 HB2 ASN A 49 -8.098 0.923 23.508 1.00 21.22 H new ATOM 0 HB3 ASN A 49 -7.084 1.690 24.714 1.00 21.22 H new ATOM 0 HD21 ASN A 49 -7.389 4.846 23.245 1.00 54.32 H new ATOM 0 HD22 ASN A 49 -7.177 3.845 24.685 1.00 54.32 H new ATOM 652 N LYS A 50 -5.617 -1.306 24.460 1.00 10.33 N ATOM 653 CA LYS A 50 -5.047 -2.106 25.536 1.00 60.44 C ATOM 654 C LYS A 50 -3.747 -2.770 25.093 1.00 21.23 C ATOM 655 O LYS A 50 -2.937 -3.184 25.921 1.00 73.35 O ATOM 656 CB LYS A 50 -6.047 -3.173 25.990 1.00 0.21 C ATOM 657 CG LYS A 50 -5.533 -4.046 27.121 1.00 75.34 C ATOM 658 CD LYS A 50 -5.162 -5.435 26.629 1.00 74.41 C ATOM 659 CE LYS A 50 -6.020 -6.507 27.285 1.00 51.41 C ATOM 660 NZ LYS A 50 -5.359 -7.841 27.254 1.00 63.52 N ATOM 0 H LYS A 50 -6.245 -1.818 23.841 1.00 10.33 H new ATOM 0 HA LYS A 50 -4.828 -1.441 26.371 1.00 60.44 H new ATOM 0 HB2 LYS A 50 -6.967 -2.684 26.309 1.00 0.21 H new ATOM 0 HB3 LYS A 50 -6.301 -3.806 25.140 1.00 0.21 H new ATOM 0 HG2 LYS A 50 -4.662 -3.576 27.578 1.00 75.34 H new ATOM 0 HG3 LYS A 50 -6.295 -4.125 27.896 1.00 75.34 H new ATOM 0 HD2 LYS A 50 -5.283 -5.483 25.547 1.00 74.41 H new ATOM 0 HD3 LYS A 50 -4.111 -5.629 26.842 1.00 74.41 H new ATOM 0 HE2 LYS A 50 -6.224 -6.227 28.318 1.00 51.41 H new ATOM 0 HE3 LYS A 50 -6.981 -6.566 26.774 1.00 51.41 H new ATOM 0 HZ1 LYS A 50 -5.975 -8.544 27.710 1.00 63.52 H new ATOM 0 HZ2 LYS A 50 -5.187 -8.120 26.267 1.00 63.52 H new ATOM 0 HZ3 LYS A 50 -4.453 -7.792 27.763 1.00 63.52 H new ATOM 670 N GLY A 51 -3.553 -2.863 23.781 1.00 71.10 N ATOM 671 CA GLY A 51 -2.348 -3.475 23.251 1.00 34.50 C ATOM 672 C GLY A 51 -1.140 -2.568 23.364 1.00 11.24 C ATOM 673 O GLY A 51 -0.009 -3.040 23.485 1.00 43.21 O ATOM 0 H GLY A 51 -4.208 -2.526 23.076 1.00 71.10 H new ATOM 0 HA2 GLY A 51 -2.152 -4.405 23.785 1.00 34.50 H new ATOM 0 HA3 GLY A 51 -2.506 -3.735 22.204 1.00 34.50 H new ATOM 676 N VAL A 52 -1.377 -1.261 23.321 1.00 3.35 N ATOM 677 CA VAL A 52 -0.299 -0.284 23.419 1.00 53.44 C ATOM 678 C VAL A 52 0.380 -0.350 24.782 1.00 42.23 C ATOM 679 O VAL A 52 1.599 -0.204 24.888 1.00 41.05 O ATOM 680 CB VAL A 52 -0.814 1.148 23.183 1.00 34.32 C ATOM 681 CG1 VAL A 52 -1.467 1.261 21.814 1.00 35.34 C ATOM 682 CG2 VAL A 52 -1.787 1.551 24.281 1.00 50.43 C ATOM 0 H VAL A 52 -2.307 -0.854 23.219 1.00 3.35 H new ATOM 0 HA VAL A 52 0.425 -0.533 22.643 1.00 53.44 H new ATOM 0 HB VAL A 52 0.035 1.831 23.212 1.00 34.32 H new ATOM 0 HG11 VAL A 52 -1.825 2.280 21.665 1.00 35.34 H new ATOM 0 HG12 VAL A 52 -0.738 1.016 21.042 1.00 35.34 H new ATOM 0 HG13 VAL A 52 -2.307 0.569 21.753 1.00 35.34 H new ATOM 0 HG21 VAL A 52 -2.141 2.566 24.099 1.00 50.43 H new ATOM 0 HG22 VAL A 52 -2.635 0.866 24.285 1.00 50.43 H new ATOM 0 HG23 VAL A 52 -1.283 1.511 25.247 1.00 50.43 H new ATOM 692 N PHE A 53 -0.415 -0.569 25.823 1.00 43.13 N ATOM 693 CA PHE A 53 0.110 -0.654 27.181 1.00 30.33 C ATOM 694 C PHE A 53 0.515 -2.086 27.520 1.00 21.21 C ATOM 695 O PHE A 53 1.035 -2.355 28.603 1.00 11.24 O ATOM 696 CB PHE A 53 -0.934 -0.157 28.185 1.00 12.22 C ATOM 697 CG PHE A 53 -0.698 1.254 28.644 1.00 31.01 C ATOM 698 CD1 PHE A 53 -0.263 2.222 27.755 1.00 4.12 C ATOM 699 CD2 PHE A 53 -0.913 1.611 29.966 1.00 50.20 C ATOM 700 CE1 PHE A 53 -0.045 3.521 28.175 1.00 33.14 C ATOM 701 CE2 PHE A 53 -0.698 2.908 30.391 1.00 3.33 C ATOM 702 CZ PHE A 53 -0.263 3.864 29.494 1.00 10.02 C ATOM 0 H PHE A 53 -1.425 -0.691 25.753 1.00 43.13 H new ATOM 0 HA PHE A 53 0.995 -0.021 27.242 1.00 30.33 H new ATOM 0 HB2 PHE A 53 -1.923 -0.223 27.732 1.00 12.22 H new ATOM 0 HB3 PHE A 53 -0.936 -0.817 29.052 1.00 12.22 H new ATOM 0 HD1 PHE A 53 -0.092 1.959 26.721 1.00 4.12 H new ATOM 0 HD2 PHE A 53 -1.252 0.867 30.672 1.00 50.20 H new ATOM 0 HE1 PHE A 53 0.296 4.267 27.472 1.00 33.14 H new ATOM 0 HE2 PHE A 53 -0.870 3.174 31.424 1.00 3.33 H new ATOM 0 HZ PHE A 53 -0.094 4.878 29.824 1.00 10.02 H new ATOM 711 N GLN A 54 0.273 -2.999 26.585 1.00 71.33 N ATOM 712 CA GLN A 54 0.612 -4.403 26.784 1.00 42.24 C ATOM 713 C GLN A 54 2.091 -4.564 27.120 1.00 13.22 C ATOM 714 O GLN A 54 2.492 -5.541 27.751 1.00 3.14 O ATOM 715 CB GLN A 54 0.269 -5.215 25.535 1.00 12.12 C ATOM 716 CG GLN A 54 -0.176 -6.637 25.836 1.00 71.23 C ATOM 717 CD GLN A 54 0.984 -7.553 26.171 1.00 44.24 C ATOM 718 OE1 GLN A 54 1.004 -8.187 27.226 1.00 40.45 O ATOM 719 NE2 GLN A 54 1.959 -7.628 25.272 1.00 22.22 N ATOM 0 H GLN A 54 -0.156 -2.792 25.683 1.00 71.33 H new ATOM 0 HA GLN A 54 0.025 -4.776 27.623 1.00 42.24 H new ATOM 0 HB2 GLN A 54 -0.522 -4.704 24.986 1.00 12.12 H new ATOM 0 HB3 GLN A 54 1.141 -5.247 24.882 1.00 12.12 H new ATOM 0 HG2 GLN A 54 -0.877 -6.625 26.670 1.00 71.23 H new ATOM 0 HG3 GLN A 54 -0.712 -7.036 24.975 1.00 71.23 H new ATOM 0 HE21 GLN A 54 1.901 -7.085 24.411 1.00 22.22 H new ATOM 0 HE22 GLN A 54 2.765 -8.229 25.443 1.00 22.22 H new ATOM 726 N GLY A 55 2.899 -3.598 26.691 1.00 34.53 N ATOM 727 CA GLY A 55 4.325 -3.652 26.954 1.00 64.40 C ATOM 728 C GLY A 55 4.704 -2.941 28.238 1.00 71.33 C ATOM 729 O GLY A 55 5.411 -3.498 29.079 1.00 11.42 O ATOM 0 H GLY A 55 2.591 -2.779 26.166 1.00 34.53 H new ATOM 0 HA2 GLY A 55 4.642 -4.693 27.012 1.00 64.40 H new ATOM 0 HA3 GLY A 55 4.863 -3.201 26.120 1.00 64.40 H new ATOM 732 N VAL A 56 4.236 -1.708 28.391 1.00 32.25 N ATOM 733 CA VAL A 56 4.530 -0.919 29.581 1.00 61.14 C ATOM 734 C VAL A 56 3.955 -1.576 30.831 1.00 44.21 C ATOM 735 O VAL A 56 4.552 -1.519 31.906 1.00 41.41 O ATOM 736 CB VAL A 56 3.970 0.510 29.461 1.00 32.25 C ATOM 737 CG1 VAL A 56 4.612 1.239 28.290 1.00 22.13 C ATOM 738 CG2 VAL A 56 2.456 0.478 29.314 1.00 22.34 C ATOM 0 H VAL A 56 3.650 -1.232 27.705 1.00 32.25 H new ATOM 0 HA VAL A 56 5.615 -0.868 29.667 1.00 61.14 H new ATOM 0 HB VAL A 56 4.212 1.054 30.374 1.00 32.25 H new ATOM 0 HG11 VAL A 56 4.204 2.247 28.221 1.00 22.13 H new ATOM 0 HG12 VAL A 56 5.690 1.294 28.442 1.00 22.13 H new ATOM 0 HG13 VAL A 56 4.403 0.699 27.367 1.00 22.13 H new ATOM 0 HG21 VAL A 56 2.077 1.497 29.230 1.00 22.34 H new ATOM 0 HG22 VAL A 56 2.189 -0.083 28.418 1.00 22.34 H new ATOM 0 HG23 VAL A 56 2.016 -0.002 30.188 1.00 22.34 H new ATOM 748 N HIS A 57 2.790 -2.199 30.683 1.00 52.34 N ATOM 749 CA HIS A 57 2.134 -2.868 31.800 1.00 22.42 C ATOM 750 C HIS A 57 3.106 -3.789 32.530 1.00 53.41 C ATOM 751 O HIS A 57 3.299 -3.672 33.740 1.00 52.13 O ATOM 752 CB HIS A 57 0.929 -3.668 31.305 1.00 62.54 C ATOM 753 CG HIS A 57 -0.368 -2.925 31.408 1.00 44.11 C ATOM 754 ND1 HIS A 57 -0.698 -2.134 32.489 1.00 0.03 N ATOM 755 CD2 HIS A 57 -1.417 -2.854 30.557 1.00 3.04 C ATOM 756 CE1 HIS A 57 -1.896 -1.610 32.298 1.00 4.35 C ATOM 757 NE2 HIS A 57 -2.354 -2.030 31.133 1.00 61.12 N ATOM 0 H HIS A 57 2.281 -2.254 29.801 1.00 52.34 H new ATOM 0 HA HIS A 57 1.792 -2.104 32.499 1.00 22.42 H new ATOM 0 HB2 HIS A 57 1.094 -3.952 30.266 1.00 62.54 H new ATOM 0 HB3 HIS A 57 0.856 -4.591 31.880 1.00 62.54 H new ATOM 0 HD2 HIS A 57 -1.502 -3.352 29.603 1.00 3.04 H new ATOM 0 HE1 HIS A 57 -2.413 -0.950 32.979 1.00 4.35 H new ATOM 0 HE2 HIS A 57 -3.256 -1.783 30.727 1.00 61.12 H new ATOM 764 N ASP A 58 3.717 -4.706 31.786 1.00 24.42 N ATOM 765 CA ASP A 58 4.670 -5.647 32.362 1.00 32.21 C ATOM 766 C ASP A 58 5.932 -4.927 32.826 1.00 1.24 C ATOM 767 O ASP A 58 6.700 -5.454 33.631 1.00 35.21 O ATOM 768 CB ASP A 58 5.030 -6.728 31.341 1.00 44.22 C ATOM 769 CG ASP A 58 5.399 -8.044 31.999 1.00 11.13 C ATOM 770 OD1 ASP A 58 6.253 -8.034 32.910 1.00 32.04 O ATOM 771 OD2 ASP A 58 4.833 -9.085 31.601 1.00 43.22 O ATOM 0 H ASP A 58 3.569 -4.817 30.783 1.00 24.42 H new ATOM 0 HA ASP A 58 4.203 -6.116 33.228 1.00 32.21 H new ATOM 0 HB2 ASP A 58 4.186 -6.885 30.669 1.00 44.22 H new ATOM 0 HB3 ASP A 58 5.864 -6.384 30.730 1.00 44.22 H new ATOM 775 N SER A 59 6.141 -3.719 32.312 1.00 11.14 N ATOM 776 CA SER A 59 7.313 -2.928 32.670 1.00 13.25 C ATOM 777 C SER A 59 7.107 -2.226 34.008 1.00 61.33 C ATOM 778 O SER A 59 8.055 -2.016 34.763 1.00 3.54 O ATOM 779 CB SER A 59 7.610 -1.896 31.580 1.00 24.51 C ATOM 780 OG SER A 59 8.807 -1.191 31.858 1.00 62.30 O ATOM 0 H SER A 59 5.514 -3.267 31.646 1.00 11.14 H new ATOM 0 HA SER A 59 8.163 -3.604 32.762 1.00 13.25 H new ATOM 0 HB2 SER A 59 7.694 -2.396 30.615 1.00 24.51 H new ATOM 0 HB3 SER A 59 6.780 -1.194 31.504 1.00 24.51 H new ATOM 0 HG SER A 59 8.975 -0.539 31.146 1.00 62.30 H new ATOM 785 N ALA A 60 5.859 -1.868 34.295 1.00 51.14 N ATOM 786 CA ALA A 60 5.527 -1.193 35.543 1.00 20.12 C ATOM 787 C ALA A 60 5.196 -2.199 36.641 1.00 0.54 C ATOM 788 O ALA A 60 4.711 -1.827 37.709 1.00 70.02 O ATOM 789 CB ALA A 60 4.362 -0.237 35.332 1.00 35.14 C ATOM 0 H ALA A 60 5.062 -2.034 33.680 1.00 51.14 H new ATOM 0 HA ALA A 60 6.399 -0.622 35.861 1.00 20.12 H new ATOM 0 HB1 ALA A 60 4.125 0.260 36.272 1.00 35.14 H new ATOM 0 HB2 ALA A 60 4.634 0.509 34.585 1.00 35.14 H new ATOM 0 HB3 ALA A 60 3.492 -0.795 34.987 1.00 35.14 H new ATOM 795 N GLU A 61 5.461 -3.472 36.370 1.00 53.30 N ATOM 796 CA GLU A 61 5.189 -4.531 37.335 1.00 54.12 C ATOM 797 C GLU A 61 5.807 -4.202 38.692 1.00 35.54 C ATOM 798 O GLU A 61 5.289 -4.599 39.735 1.00 72.44 O ATOM 799 CB GLU A 61 5.733 -5.868 36.826 1.00 4.25 C ATOM 800 CG GLU A 61 5.058 -7.077 37.451 1.00 3.32 C ATOM 801 CD GLU A 61 3.720 -7.393 36.812 1.00 70.32 C ATOM 802 OE1 GLU A 61 3.539 -7.064 35.621 1.00 50.40 O ATOM 803 OE2 GLU A 61 2.854 -7.971 37.501 1.00 63.43 O ATOM 0 H GLU A 61 5.864 -3.796 35.491 1.00 53.30 H new ATOM 0 HA GLU A 61 4.108 -4.609 37.456 1.00 54.12 H new ATOM 0 HB2 GLU A 61 5.610 -5.913 35.744 1.00 4.25 H new ATOM 0 HB3 GLU A 61 6.803 -5.915 37.027 1.00 4.25 H new ATOM 0 HG2 GLU A 61 5.714 -7.943 37.359 1.00 3.32 H new ATOM 0 HG3 GLU A 61 4.914 -6.898 38.517 1.00 3.32 H new ATOM 808 N LYS A 62 6.917 -3.473 38.668 1.00 50.23 N ATOM 809 CA LYS A 62 7.607 -3.089 39.894 1.00 73.42 C ATOM 810 C LYS A 62 6.824 -2.017 40.645 1.00 20.30 C ATOM 811 O LYS A 62 6.616 -2.118 41.853 1.00 41.43 O ATOM 812 CB LYS A 62 9.013 -2.578 39.574 1.00 72.31 C ATOM 813 CG LYS A 62 10.080 -3.657 39.632 1.00 74.12 C ATOM 814 CD LYS A 62 11.418 -3.094 40.081 1.00 64.14 C ATOM 815 CE LYS A 62 11.488 -2.965 41.595 1.00 4.42 C ATOM 816 NZ LYS A 62 12.506 -1.964 42.020 1.00 2.55 N ATOM 0 H LYS A 62 7.359 -3.136 37.813 1.00 50.23 H new ATOM 0 HA LYS A 62 7.684 -3.971 40.530 1.00 73.42 H new ATOM 0 HB2 LYS A 62 9.011 -2.134 38.579 1.00 72.31 H new ATOM 0 HB3 LYS A 62 9.271 -1.785 40.276 1.00 72.31 H new ATOM 0 HG2 LYS A 62 9.766 -4.444 40.318 1.00 74.12 H new ATOM 0 HG3 LYS A 62 10.189 -4.116 38.649 1.00 74.12 H new ATOM 0 HD2 LYS A 62 12.222 -3.742 39.732 1.00 64.14 H new ATOM 0 HD3 LYS A 62 11.575 -2.117 39.624 1.00 64.14 H new ATOM 0 HE2 LYS A 62 10.511 -2.675 41.980 1.00 4.42 H new ATOM 0 HE3 LYS A 62 11.728 -3.935 42.031 1.00 4.42 H new ATOM 0 HZ1 LYS A 62 12.523 -1.905 43.058 1.00 2.55 H new ATOM 0 HZ2 LYS A 62 13.443 -2.254 41.674 1.00 2.55 H new ATOM 0 HZ3 LYS A 62 12.264 -1.033 41.625 1.00 2.55 H new ATOM 826 N GLY A 63 6.389 -0.990 39.921 1.00 14.03 N ATOM 827 CA GLY A 63 5.632 0.085 40.536 1.00 51.33 C ATOM 828 C GLY A 63 4.143 -0.198 40.565 1.00 54.10 C ATOM 829 O GLY A 63 3.341 0.689 40.857 1.00 55.01 O ATOM 0 H GLY A 63 6.547 -0.883 38.919 1.00 14.03 H new ATOM 0 HA2 GLY A 63 5.989 0.241 41.554 1.00 51.33 H new ATOM 0 HA3 GLY A 63 5.812 1.011 39.990 1.00 51.33 H new ATOM 832 N LYS A 64 3.771 -1.437 40.260 1.00 2.03 N ATOM 833 CA LYS A 64 2.369 -1.834 40.252 1.00 74.22 C ATOM 834 C LYS A 64 2.113 -2.948 41.262 1.00 45.42 C ATOM 835 O LYS A 64 1.223 -3.778 41.075 1.00 11.34 O ATOM 836 CB LYS A 64 1.956 -2.297 38.852 1.00 45.32 C ATOM 837 CG LYS A 64 0.456 -2.269 38.620 1.00 55.24 C ATOM 838 CD LYS A 64 0.104 -2.693 37.203 1.00 61.41 C ATOM 839 CE LYS A 64 -0.263 -4.168 37.138 1.00 65.33 C ATOM 840 NZ LYS A 64 0.917 -5.019 36.820 1.00 73.42 N ATOM 0 H LYS A 64 4.422 -2.183 40.015 1.00 2.03 H new ATOM 0 HA LYS A 64 1.771 -0.967 40.533 1.00 74.22 H new ATOM 0 HB2 LYS A 64 2.442 -1.662 38.111 1.00 45.32 H new ATOM 0 HB3 LYS A 64 2.321 -3.311 38.692 1.00 45.32 H new ATOM 0 HG2 LYS A 64 -0.036 -2.932 39.332 1.00 55.24 H new ATOM 0 HG3 LYS A 64 0.077 -1.264 38.805 1.00 55.24 H new ATOM 0 HD2 LYS A 64 -0.730 -2.093 36.839 1.00 61.41 H new ATOM 0 HD3 LYS A 64 0.949 -2.498 36.543 1.00 61.41 H new ATOM 0 HE2 LYS A 64 -0.689 -4.479 38.092 1.00 65.33 H new ATOM 0 HE3 LYS A 64 -1.033 -4.318 36.382 1.00 65.33 H new ATOM 0 HZ1 LYS A 64 0.598 -5.981 36.585 1.00 73.42 H new ATOM 0 HZ2 LYS A 64 1.428 -4.615 36.009 1.00 73.42 H new ATOM 0 HZ3 LYS A 64 1.550 -5.056 37.644 1.00 73.42 H new ATOM 850 N ASP A 65 2.898 -2.960 42.334 1.00 14.11 N ATOM 851 CA ASP A 65 2.756 -3.970 43.376 1.00 34.42 C ATOM 852 C ASP A 65 2.138 -3.369 44.635 1.00 34.12 C ATOM 853 O ASP A 65 2.161 -3.981 45.702 1.00 35.14 O ATOM 854 CB ASP A 65 4.114 -4.590 43.704 1.00 42.43 C ATOM 855 CG ASP A 65 4.606 -5.520 42.613 1.00 73.14 C ATOM 856 OD1 ASP A 65 3.815 -6.377 42.164 1.00 14.14 O ATOM 857 OD2 ASP A 65 5.780 -5.394 42.209 1.00 2.32 O ATOM 0 H ASP A 65 3.640 -2.281 42.504 1.00 14.11 H new ATOM 0 HA ASP A 65 2.091 -4.749 43.004 1.00 34.42 H new ATOM 0 HB2 ASP A 65 4.845 -3.796 43.857 1.00 42.43 H new ATOM 0 HB3 ASP A 65 4.041 -5.141 44.641 1.00 42.43 H new ATOM 861 N ASN A 66 1.589 -2.166 44.501 1.00 72.35 N ATOM 862 CA ASN A 66 0.967 -1.481 45.628 1.00 64.23 C ATOM 863 C ASN A 66 0.010 -2.411 46.370 1.00 11.54 C ATOM 864 O ASN A 66 -0.257 -2.225 47.556 1.00 54.12 O ATOM 865 CB ASN A 66 0.217 -0.238 45.147 1.00 10.13 C ATOM 866 CG ASN A 66 -0.187 -0.336 43.688 1.00 21.30 C ATOM 867 OD1 ASN A 66 -0.886 -1.410 43.339 1.00 32.31 O flip ATOM 868 ND2 ASN A 66 0.125 0.544 42.885 1.00 54.30 N flip ATOM 0 H ASN A 66 1.562 -1.646 43.624 1.00 72.35 H new ATOM 0 HA ASN A 66 1.756 -1.177 46.315 1.00 64.23 H new ATOM 0 HB2 ASN A 66 -0.673 -0.095 45.759 1.00 10.13 H new ATOM 0 HB3 ASN A 66 0.846 0.641 45.289 1.00 10.13 H new ATOM 0 HD21 ASN A 66 0.663 1.352 43.198 1.00 54.30 H new ATOM 0 HD22 ASN A 66 -0.155 0.465 41.907 1.00 54.30 H new ATOM 874 N ALA A 67 -0.502 -3.411 45.660 1.00 53.14 N ATOM 875 CA ALA A 67 -1.427 -4.371 46.250 1.00 54.12 C ATOM 876 C ALA A 67 -0.855 -4.969 47.531 1.00 3.51 C ATOM 877 O ALA A 67 -1.597 -5.363 48.428 1.00 71.44 O ATOM 878 CB ALA A 67 -1.753 -5.472 45.252 1.00 30.23 C ATOM 0 H ALA A 67 -0.292 -3.577 44.676 1.00 53.14 H new ATOM 0 HA ALA A 67 -2.346 -3.843 46.505 1.00 54.12 H new ATOM 0 HB1 ALA A 67 -2.445 -6.182 45.706 1.00 30.23 H new ATOM 0 HB2 ALA A 67 -2.212 -5.035 44.365 1.00 30.23 H new ATOM 0 HB3 ALA A 67 -0.836 -5.989 44.969 1.00 30.23 H new ATOM 947 N LEU A 74 -7.437 -3.014 56.910 1.00 1.24 N ATOM 948 CA LEU A 74 -6.837 -4.029 57.769 1.00 22.43 C ATOM 949 C LEU A 74 -7.912 -4.831 58.496 1.00 71.44 C ATOM 950 O LEU A 74 -7.622 -5.849 59.124 1.00 61.11 O ATOM 951 CB LEU A 74 -5.898 -3.376 58.784 1.00 21.11 C ATOM 952 CG LEU A 74 -4.626 -2.749 58.215 1.00 41.51 C ATOM 953 CD1 LEU A 74 -3.907 -3.732 57.304 1.00 21.31 C ATOM 954 CD2 LEU A 74 -4.952 -1.466 57.465 1.00 24.10 C ATOM 0 HA LEU A 74 -6.264 -4.710 57.140 1.00 22.43 H new ATOM 0 HB2 LEU A 74 -6.452 -2.604 59.317 1.00 21.11 H new ATOM 0 HB3 LEU A 74 -5.611 -4.128 59.519 1.00 21.11 H new ATOM 0 HG LEU A 74 -3.964 -2.503 59.045 1.00 41.51 H new ATOM 0 HD11 LEU A 74 -3.004 -3.268 56.908 1.00 21.31 H new ATOM 0 HD12 LEU A 74 -3.638 -4.624 57.871 1.00 21.31 H new ATOM 0 HD13 LEU A 74 -4.563 -4.010 56.479 1.00 21.31 H new ATOM 0 HD21 LEU A 74 -4.034 -1.034 57.067 1.00 24.10 H new ATOM 0 HD22 LEU A 74 -5.634 -1.688 56.644 1.00 24.10 H new ATOM 0 HD23 LEU A 74 -5.422 -0.756 58.146 1.00 24.10 H new ATOM 965 N ALA A 75 -9.154 -4.366 58.404 1.00 54.42 N ATOM 966 CA ALA A 75 -10.272 -5.043 59.049 1.00 21.31 C ATOM 967 C ALA A 75 -10.827 -6.154 58.163 1.00 23.31 C ATOM 968 O ALA A 75 -11.297 -7.178 58.658 1.00 32.42 O ATOM 969 CB ALA A 75 -11.366 -4.043 59.393 1.00 24.12 C ATOM 0 H ALA A 75 -9.411 -3.524 57.889 1.00 54.42 H new ATOM 0 HA ALA A 75 -9.907 -5.498 59.970 1.00 21.31 H new ATOM 0 HB1 ALA A 75 -12.195 -4.562 59.874 1.00 24.12 H new ATOM 0 HB2 ALA A 75 -10.968 -3.288 60.071 1.00 24.12 H new ATOM 0 HB3 ALA A 75 -11.719 -3.562 58.481 1.00 24.12 H new ATOM 975 N ASP A 76 -10.769 -5.943 56.853 1.00 23.22 N ATOM 976 CA ASP A 76 -11.266 -6.926 55.897 1.00 42.25 C ATOM 977 C ASP A 76 -10.597 -8.280 56.115 1.00 12.51 C ATOM 978 O ASP A 76 -11.252 -9.320 56.076 1.00 62.51 O ATOM 979 CB ASP A 76 -11.023 -6.447 54.466 1.00 51.11 C ATOM 980 CG ASP A 76 -11.917 -7.145 53.462 1.00 33.35 C ATOM 981 OD1 ASP A 76 -13.105 -6.771 53.363 1.00 23.14 O ATOM 982 OD2 ASP A 76 -11.431 -8.066 52.773 1.00 40.21 O ATOM 0 H ASP A 76 -10.383 -5.100 56.428 1.00 23.22 H new ATOM 0 HA ASP A 76 -12.338 -7.040 56.055 1.00 42.25 H new ATOM 0 HB2 ASP A 76 -11.192 -5.372 54.412 1.00 51.11 H new ATOM 0 HB3 ASP A 76 -9.980 -6.619 54.201 1.00 51.11 H new ATOM 986 N GLN A 77 -9.287 -8.257 56.340 1.00 51.13 N ATOM 987 CA GLN A 77 -8.529 -9.483 56.561 1.00 33.01 C ATOM 988 C GLN A 77 -8.676 -9.963 58.001 1.00 22.23 C ATOM 989 O GLN A 77 -8.785 -11.161 58.258 1.00 52.15 O ATOM 990 CB GLN A 77 -7.051 -9.261 56.234 1.00 32.54 C ATOM 991 CG GLN A 77 -6.230 -8.789 57.423 1.00 2.24 C ATOM 992 CD GLN A 77 -4.811 -8.414 57.040 1.00 32.40 C ATOM 993 OE1 GLN A 77 -4.356 -8.706 55.934 1.00 75.35 O ATOM 994 NE2 GLN A 77 -4.104 -7.762 57.955 1.00 1.02 N ATOM 0 H GLN A 77 -8.729 -7.404 56.374 1.00 51.13 H new ATOM 0 HA GLN A 77 -8.929 -10.251 55.899 1.00 33.01 H new ATOM 0 HB2 GLN A 77 -6.627 -10.192 55.857 1.00 32.54 H new ATOM 0 HB3 GLN A 77 -6.971 -8.526 55.433 1.00 32.54 H new ATOM 0 HG2 GLN A 77 -6.719 -7.928 57.879 1.00 2.24 H new ATOM 0 HG3 GLN A 77 -6.203 -9.576 58.177 1.00 2.24 H new ATOM 0 HE21 GLN A 77 -4.521 -7.540 58.859 1.00 1.02 H new ATOM 0 HE22 GLN A 77 -3.144 -7.483 57.754 1.00 1.02 H new ATOM 1001 N ALA A 78 -8.680 -9.019 58.937 1.00 53.41 N ATOM 1002 CA ALA A 78 -8.815 -9.345 60.351 1.00 32.30 C ATOM 1003 C ALA A 78 -9.878 -10.417 60.567 1.00 62.11 C ATOM 1004 O ALA A 78 -9.757 -11.253 61.463 1.00 12.23 O ATOM 1005 CB ALA A 78 -9.153 -8.096 61.150 1.00 60.32 C ATOM 0 H ALA A 78 -8.591 -8.022 58.741 1.00 53.41 H new ATOM 0 HA ALA A 78 -7.861 -9.740 60.701 1.00 32.30 H new ATOM 0 HB1 ALA A 78 -9.251 -8.354 62.204 1.00 60.32 H new ATOM 0 HB2 ALA A 78 -8.358 -7.360 61.029 1.00 60.32 H new ATOM 0 HB3 ALA A 78 -10.093 -7.677 60.790 1.00 60.32 H new ATOM 1011 N ARG A 79 -10.919 -10.387 59.742 1.00 33.23 N ATOM 1012 CA ARG A 79 -12.005 -11.355 59.844 1.00 42.24 C ATOM 1013 C ARG A 79 -11.582 -12.708 59.278 1.00 5.03 C ATOM 1014 O ARG A 79 -11.630 -13.725 59.971 1.00 12.42 O ATOM 1015 CB ARG A 79 -13.243 -10.846 59.105 1.00 63.33 C ATOM 1016 CG ARG A 79 -13.742 -9.501 59.608 1.00 32.13 C ATOM 1017 CD ARG A 79 -14.963 -9.034 58.832 1.00 32.42 C ATOM 1018 NE ARG A 79 -14.604 -8.482 57.528 1.00 20.45 N ATOM 1019 CZ ARG A 79 -15.479 -7.913 56.706 1.00 30.43 C ATOM 1020 NH1 ARG A 79 -16.756 -7.822 57.050 1.00 15.21 N ATOM 1021 NH2 ARG A 79 -15.076 -7.434 55.536 1.00 23.03 N ATOM 0 H ARG A 79 -11.034 -9.702 58.995 1.00 33.23 H new ATOM 0 HA ARG A 79 -12.247 -11.481 60.899 1.00 42.24 H new ATOM 0 HB2 ARG A 79 -13.014 -10.765 58.042 1.00 63.33 H new ATOM 0 HB3 ARG A 79 -14.042 -11.581 59.203 1.00 63.33 H new ATOM 0 HG2 ARG A 79 -13.990 -9.576 60.667 1.00 32.13 H new ATOM 0 HG3 ARG A 79 -12.947 -8.760 59.518 1.00 32.13 H new ATOM 0 HD2 ARG A 79 -15.648 -9.871 58.695 1.00 32.42 H new ATOM 0 HD3 ARG A 79 -15.494 -8.279 59.412 1.00 32.42 H new ATOM 0 HE ARG A 79 -13.629 -8.536 57.233 1.00 20.45 H new ATOM 0 HH11 ARG A 79 -17.070 -8.189 57.948 1.00 15.21 H new ATOM 0 HH12 ARG A 79 -17.425 -7.384 56.416 1.00 15.21 H new ATOM 0 HH21 ARG A 79 -14.094 -7.503 55.268 1.00 23.03 H new ATOM 0 HH22 ARG A 79 -15.748 -6.997 54.905 1.00 23.03 H new ATOM 1032 N ASP A 80 -11.169 -12.712 58.016 1.00 20.03 N ATOM 1033 CA ASP A 80 -10.737 -13.939 57.356 1.00 31.24 C ATOM 1034 C ASP A 80 -9.313 -14.302 57.764 1.00 53.30 C ATOM 1035 O ASP A 80 -9.056 -15.408 58.239 1.00 13.42 O ATOM 1036 CB ASP A 80 -10.822 -13.783 55.837 1.00 21.43 C ATOM 1037 CG ASP A 80 -12.223 -14.021 55.308 1.00 1.21 C ATOM 1038 OD1 ASP A 80 -13.191 -13.683 56.022 1.00 55.33 O ATOM 1039 OD2 ASP A 80 -12.352 -14.544 54.182 1.00 33.20 O ATOM 0 H ASP A 80 -11.124 -11.879 57.429 1.00 20.03 H new ATOM 0 HA ASP A 80 -11.402 -14.744 57.668 1.00 31.24 H new ATOM 0 HB2 ASP A 80 -10.497 -12.780 55.559 1.00 21.43 H new ATOM 0 HB3 ASP A 80 -10.134 -14.484 55.364 1.00 21.43 H new ATOM 1043 N TYR A 81 -8.392 -13.365 57.572 1.00 44.52 N ATOM 1044 CA TYR A 81 -6.991 -13.588 57.917 1.00 30.23 C ATOM 1045 C TYR A 81 -6.870 -14.378 59.217 1.00 3.45 C ATOM 1046 O TYR A 81 -6.417 -15.522 59.220 1.00 64.11 O ATOM 1047 CB TYR A 81 -6.257 -12.252 58.048 1.00 21.42 C ATOM 1048 CG TYR A 81 -4.763 -12.361 57.852 1.00 51.21 C ATOM 1049 CD1 TYR A 81 -4.230 -13.130 56.825 1.00 75.23 C ATOM 1050 CD2 TYR A 81 -3.881 -11.694 58.694 1.00 31.21 C ATOM 1051 CE1 TYR A 81 -2.865 -13.233 56.643 1.00 70.35 C ATOM 1052 CE2 TYR A 81 -2.514 -11.790 58.519 1.00 72.23 C ATOM 1053 CZ TYR A 81 -2.011 -12.561 57.492 1.00 63.32 C ATOM 1054 OH TYR A 81 -0.650 -12.660 57.315 1.00 34.43 O ATOM 0 H TYR A 81 -8.589 -12.444 57.180 1.00 44.52 H new ATOM 0 HA TYR A 81 -6.533 -14.169 57.116 1.00 30.23 H new ATOM 0 HB2 TYR A 81 -6.661 -11.552 57.317 1.00 21.42 H new ATOM 0 HB3 TYR A 81 -6.456 -11.833 59.034 1.00 21.42 H new ATOM 0 HD1 TYR A 81 -4.895 -13.657 56.157 1.00 75.23 H new ATOM 0 HD2 TYR A 81 -4.271 -11.090 59.500 1.00 31.21 H new ATOM 0 HE1 TYR A 81 -2.468 -13.837 55.840 1.00 70.35 H new ATOM 0 HE2 TYR A 81 -1.843 -11.264 59.182 1.00 72.23 H new ATOM 0 HH TYR A 81 -0.192 -12.125 57.997 1.00 34.43 H new ATOM 1063 N MET A 82 -7.278 -13.757 60.319 1.00 44.41 N ATOM 1064 CA MET A 82 -7.217 -14.401 61.626 1.00 13.33 C ATOM 1065 C MET A 82 -7.742 -15.831 61.552 1.00 32.53 C ATOM 1066 O MET A 82 -7.017 -16.785 61.831 1.00 31.11 O ATOM 1067 CB MET A 82 -8.022 -13.601 62.651 1.00 71.33 C ATOM 1068 CG MET A 82 -7.548 -12.165 62.810 1.00 74.23 C ATOM 1069 SD MET A 82 -6.156 -12.016 63.946 1.00 62.31 S ATOM 1070 CE MET A 82 -6.821 -10.862 65.145 1.00 54.03 C ATOM 0 H MET A 82 -7.654 -12.809 60.333 1.00 44.41 H new ATOM 0 HA MET A 82 -6.174 -14.432 61.940 1.00 13.33 H new ATOM 0 HB2 MET A 82 -9.071 -13.598 62.355 1.00 71.33 H new ATOM 0 HB3 MET A 82 -7.965 -14.103 63.617 1.00 71.33 H new ATOM 0 HG2 MET A 82 -7.260 -11.771 61.835 1.00 74.23 H new ATOM 0 HG3 MET A 82 -8.374 -11.552 63.171 1.00 74.23 H new ATOM 0 HE1 MET A 82 -6.075 -10.668 65.916 1.00 54.03 H new ATOM 0 HE2 MET A 82 -7.079 -9.928 64.646 1.00 54.03 H new ATOM 0 HE3 MET A 82 -7.714 -11.287 65.603 1.00 54.03 H new ATOM 1078 N GLY A 83 -9.010 -15.972 61.174 1.00 13.21 N ATOM 1079 CA GLY A 83 -9.610 -17.289 61.071 1.00 10.01 C ATOM 1080 C GLY A 83 -8.756 -18.256 60.275 1.00 51.11 C ATOM 1081 O GLY A 83 -8.305 -19.274 60.800 1.00 23.45 O ATOM 0 H GLY A 83 -9.631 -15.198 60.938 1.00 13.21 H new ATOM 0 HA2 GLY A 83 -9.771 -17.690 62.071 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -10.590 -17.203 60.601 1.00 10.01 H new ATOM 1084 N ALA A 84 -8.534 -17.938 59.004 1.00 34.04 N ATOM 1085 CA ALA A 84 -7.728 -18.786 58.134 1.00 11.21 C ATOM 1086 C ALA A 84 -6.388 -19.121 58.781 1.00 23.44 C ATOM 1087 O ALA A 84 -5.839 -20.201 58.571 1.00 15.04 O ATOM 1088 CB ALA A 84 -7.512 -18.108 56.789 1.00 20.11 C ATOM 0 H ALA A 84 -8.901 -17.099 58.554 1.00 34.04 H new ATOM 0 HA ALA A 84 -8.268 -19.719 57.976 1.00 11.21 H new ATOM 0 HB1 ALA A 84 -6.909 -18.752 56.149 1.00 20.11 H new ATOM 0 HB2 ALA A 84 -8.476 -17.926 56.314 1.00 20.11 H new ATOM 0 HB3 ALA A 84 -6.996 -17.159 56.938 1.00 20.11 H new ATOM 1094 N ALA A 85 -5.868 -18.185 59.570 1.00 55.10 N ATOM 1095 CA ALA A 85 -4.593 -18.383 60.249 1.00 4.32 C ATOM 1096 C ALA A 85 -4.700 -19.470 61.312 1.00 40.54 C ATOM 1097 O ALA A 85 -4.216 -20.587 61.122 1.00 24.21 O ATOM 1098 CB ALA A 85 -4.120 -17.077 60.873 1.00 13.32 C ATOM 0 H ALA A 85 -6.309 -17.284 59.754 1.00 55.10 H new ATOM 0 HA ALA A 85 -3.861 -18.706 59.509 1.00 4.32 H new ATOM 0 HB1 ALA A 85 -3.167 -17.239 61.377 1.00 13.32 H new ATOM 0 HB2 ALA A 85 -3.995 -16.325 60.093 1.00 13.32 H new ATOM 0 HB3 ALA A 85 -4.859 -16.731 61.596 1.00 13.32 H new ATOM 1104 N LYS A 86 -5.335 -19.138 62.431 1.00 13.31 N ATOM 1105 CA LYS A 86 -5.505 -20.087 63.525 1.00 34.02 C ATOM 1106 C LYS A 86 -6.178 -21.365 63.036 1.00 31.31 C ATOM 1107 O LYS A 86 -5.916 -22.452 63.550 1.00 52.23 O ATOM 1108 CB LYS A 86 -6.333 -19.458 64.647 1.00 60.32 C ATOM 1109 CG LYS A 86 -6.386 -20.302 65.910 1.00 34.22 C ATOM 1110 CD LYS A 86 -7.744 -20.962 66.082 1.00 74.22 C ATOM 1111 CE LYS A 86 -8.027 -21.282 67.542 1.00 13.20 C ATOM 1112 NZ LYS A 86 -9.305 -22.028 67.709 1.00 4.44 N ATOM 0 H LYS A 86 -5.741 -18.218 62.604 1.00 13.31 H new ATOM 0 HA LYS A 86 -4.518 -20.342 63.910 1.00 34.02 H new ATOM 0 HB2 LYS A 86 -5.917 -18.480 64.890 1.00 60.32 H new ATOM 0 HB3 LYS A 86 -7.349 -19.292 64.288 1.00 60.32 H new ATOM 0 HG2 LYS A 86 -5.611 -21.067 65.870 1.00 34.22 H new ATOM 0 HG3 LYS A 86 -6.172 -19.676 66.776 1.00 34.22 H new ATOM 0 HD2 LYS A 86 -8.522 -20.303 65.695 1.00 74.22 H new ATOM 0 HD3 LYS A 86 -7.781 -21.879 65.494 1.00 74.22 H new ATOM 0 HE2 LYS A 86 -7.206 -21.872 67.950 1.00 13.20 H new ATOM 0 HE3 LYS A 86 -8.070 -20.356 68.115 1.00 13.20 H new ATOM 0 HZ1 LYS A 86 -9.462 -22.227 68.718 1.00 4.44 H new ATOM 0 HZ2 LYS A 86 -10.092 -21.455 67.343 1.00 4.44 H new ATOM 0 HZ3 LYS A 86 -9.255 -22.924 67.183 1.00 4.44 H new ATOM 1122 N SER A 87 -7.048 -21.227 62.040 1.00 15.40 N ATOM 1123 CA SER A 87 -7.761 -22.372 61.484 1.00 13.34 C ATOM 1124 C SER A 87 -6.834 -23.222 60.621 1.00 43.43 C ATOM 1125 O SER A 87 -6.734 -24.436 60.805 1.00 60.43 O ATOM 1126 CB SER A 87 -8.956 -21.900 60.654 1.00 24.40 C ATOM 1127 OG SER A 87 -9.809 -22.984 60.327 1.00 24.23 O ATOM 0 H SER A 87 -7.276 -20.335 61.602 1.00 15.40 H new ATOM 0 HA SER A 87 -8.120 -22.983 62.312 1.00 13.34 H new ATOM 0 HB2 SER A 87 -9.515 -21.148 61.211 1.00 24.40 H new ATOM 0 HB3 SER A 87 -8.602 -21.423 59.740 1.00 24.40 H new ATOM 0 HG SER A 87 -10.566 -22.656 59.798 1.00 24.23 H new ATOM 1132 N LYS A 88 -6.156 -22.577 59.678 1.00 45.54 N ATOM 1133 CA LYS A 88 -5.234 -23.272 58.786 1.00 24.01 C ATOM 1134 C LYS A 88 -3.901 -23.538 59.480 1.00 34.21 C ATOM 1135 O LYS A 88 -3.106 -24.361 59.025 1.00 61.12 O ATOM 1136 CB LYS A 88 -5.004 -22.449 57.516 1.00 71.24 C ATOM 1137 CG LYS A 88 -4.536 -23.278 56.332 1.00 41.03 C ATOM 1138 CD LYS A 88 -3.763 -22.434 55.332 1.00 64.33 C ATOM 1139 CE LYS A 88 -4.685 -21.819 54.291 1.00 75.23 C ATOM 1140 NZ LYS A 88 -5.355 -20.590 54.799 1.00 13.33 N ATOM 0 H LYS A 88 -6.227 -21.573 59.511 1.00 45.54 H new ATOM 0 HA LYS A 88 -5.681 -24.229 58.517 1.00 24.01 H new ATOM 0 HB2 LYS A 88 -5.931 -21.941 57.250 1.00 71.24 H new ATOM 0 HB3 LYS A 88 -4.264 -21.676 57.723 1.00 71.24 H new ATOM 0 HG2 LYS A 88 -3.906 -24.094 56.685 1.00 41.03 H new ATOM 0 HG3 LYS A 88 -5.397 -23.730 55.840 1.00 41.03 H new ATOM 0 HD2 LYS A 88 -3.228 -21.643 55.858 1.00 64.33 H new ATOM 0 HD3 LYS A 88 -3.013 -23.051 54.836 1.00 64.33 H new ATOM 0 HE2 LYS A 88 -4.112 -21.576 53.396 1.00 75.23 H new ATOM 0 HE3 LYS A 88 -5.440 -22.549 53.998 1.00 75.23 H new ATOM 0 HZ1 LYS A 88 -5.678 -20.013 53.996 1.00 13.33 H new ATOM 0 HZ2 LYS A 88 -6.172 -20.857 55.384 1.00 13.33 H new ATOM 0 HZ3 LYS A 88 -4.684 -20.040 55.372 1.00 13.33 H new ATOM 1150 N LEU A 89 -3.664 -22.838 60.584 1.00 31.20 N ATOM 1151 CA LEU A 89 -2.429 -23.000 61.342 1.00 30.21 C ATOM 1152 C LEU A 89 -2.619 -23.989 62.488 1.00 44.41 C ATOM 1153 O LEU A 89 -1.658 -24.591 62.967 1.00 23.51 O ATOM 1154 CB LEU A 89 -1.963 -21.651 61.890 1.00 42.40 C ATOM 1155 CG LEU A 89 -0.646 -21.660 62.668 1.00 32.50 C ATOM 1156 CD1 LEU A 89 0.377 -22.546 61.974 1.00 42.12 C ATOM 1157 CD2 LEU A 89 -0.110 -20.245 62.826 1.00 1.30 C ATOM 0 H LEU A 89 -4.311 -22.153 60.974 1.00 31.20 H new ATOM 0 HA LEU A 89 -1.668 -23.394 60.669 1.00 30.21 H new ATOM 0 HB2 LEU A 89 -1.864 -20.957 61.055 1.00 42.40 H new ATOM 0 HB3 LEU A 89 -2.743 -21.257 62.541 1.00 42.40 H new ATOM 0 HG LEU A 89 -0.835 -22.068 63.661 1.00 32.50 H new ATOM 0 HD11 LEU A 89 1.308 -22.540 62.541 1.00 42.12 H new ATOM 0 HD12 LEU A 89 -0.005 -23.565 61.914 1.00 42.12 H new ATOM 0 HD13 LEU A 89 0.563 -22.168 60.969 1.00 42.12 H new ATOM 0 HD21 LEU A 89 0.827 -20.271 63.382 1.00 1.30 H new ATOM 0 HD22 LEU A 89 0.064 -19.810 61.842 1.00 1.30 H new ATOM 0 HD23 LEU A 89 -0.836 -19.639 63.368 1.00 1.30 H new ATOM 1168 N ASN A 90 -3.865 -24.152 62.922 1.00 11.54 N ATOM 1169 CA ASN A 90 -4.181 -25.069 64.011 1.00 63.50 C ATOM 1170 C ASN A 90 -4.899 -26.309 63.487 1.00 41.42 C ATOM 1171 O ASN A 90 -4.782 -27.394 64.058 1.00 22.32 O ATOM 1172 CB ASN A 90 -5.049 -24.369 65.058 1.00 43.04 C ATOM 1173 CG ASN A 90 -4.939 -25.016 66.426 1.00 64.04 C ATOM 1174 OD1 ASN A 90 -3.891 -24.958 67.070 1.00 53.15 O ATOM 1175 ND2 ASN A 90 -6.023 -25.637 66.876 1.00 12.32 N ATOM 0 H ASN A 90 -4.672 -23.661 62.536 1.00 11.54 H new ATOM 0 HA ASN A 90 -3.245 -25.381 64.474 1.00 63.50 H new ATOM 0 HB2 ASN A 90 -4.754 -23.322 65.129 1.00 43.04 H new ATOM 0 HB3 ASN A 90 -6.089 -24.386 64.734 1.00 43.04 H new ATOM 0 HD21 ASN A 90 -6.009 -26.091 67.789 1.00 12.32 H new ATOM 0 HD22 ASN A 90 -6.870 -25.660 66.308 1.00 12.32 H new ATOM 1181 N ASP A 91 -5.639 -26.141 62.396 1.00 44.34 N ATOM 1182 CA ASP A 91 -6.373 -27.248 61.793 1.00 5.12 C ATOM 1183 C ASP A 91 -5.589 -27.852 60.634 1.00 14.43 C ATOM 1184 O ASP A 91 -5.831 -28.991 60.234 1.00 71.04 O ATOM 1185 CB ASP A 91 -7.742 -26.772 61.306 1.00 32.43 C ATOM 1186 CG ASP A 91 -8.801 -27.853 61.410 1.00 2.14 C ATOM 1187 OD1 ASP A 91 -8.770 -28.794 60.590 1.00 23.20 O ATOM 1188 OD2 ASP A 91 -9.661 -27.755 62.310 1.00 72.34 O ATOM 0 H ASP A 91 -5.746 -25.250 61.912 1.00 44.34 H new ATOM 0 HA ASP A 91 -6.513 -28.017 62.553 1.00 5.12 H new ATOM 0 HB2 ASP A 91 -8.052 -25.906 61.891 1.00 32.43 H new ATOM 0 HB3 ASP A 91 -7.662 -26.444 60.270 1.00 32.43 H new ATOM 1192 N ALA A 92 -4.649 -27.082 60.095 1.00 60.33 N ATOM 1193 CA ALA A 92 -3.829 -27.543 58.982 1.00 11.42 C ATOM 1194 C ALA A 92 -2.405 -27.845 59.437 1.00 70.13 C ATOM 1195 O ALA A 92 -1.666 -28.563 58.764 1.00 55.12 O ATOM 1196 CB ALA A 92 -3.819 -26.506 57.869 1.00 21.11 C ATOM 0 H ALA A 92 -4.437 -26.136 60.412 1.00 60.33 H new ATOM 0 HA ALA A 92 -4.265 -28.466 58.601 1.00 11.42 H new ATOM 0 HB1 ALA A 92 -3.203 -26.864 57.044 1.00 21.11 H new ATOM 0 HB2 ALA A 92 -4.837 -26.341 57.516 1.00 21.11 H new ATOM 0 HB3 ALA A 92 -3.410 -25.569 58.248 1.00 21.11 H new ATOM 1202 N VAL A 93 -2.025 -27.292 60.584 1.00 22.32 N ATOM 1203 CA VAL A 93 -0.689 -27.502 61.130 1.00 71.24 C ATOM 1204 C VAL A 93 -0.738 -28.380 62.375 1.00 43.31 C ATOM 1205 O VAL A 93 0.101 -29.262 62.557 1.00 43.03 O ATOM 1206 CB VAL A 93 -0.010 -26.166 61.483 1.00 70.33 C ATOM 1207 CG1 VAL A 93 0.522 -26.197 62.908 1.00 73.51 C ATOM 1208 CG2 VAL A 93 1.106 -25.859 60.495 1.00 63.43 C ATOM 0 H VAL A 93 -2.624 -26.695 61.154 1.00 22.32 H new ATOM 0 HA VAL A 93 -0.106 -28.003 60.357 1.00 71.24 H new ATOM 0 HB VAL A 93 -0.753 -25.371 61.416 1.00 70.33 H new ATOM 0 HG11 VAL A 93 0.998 -25.244 63.139 1.00 73.51 H new ATOM 0 HG12 VAL A 93 -0.302 -26.368 63.600 1.00 73.51 H new ATOM 0 HG13 VAL A 93 1.252 -27.001 63.007 1.00 73.51 H new ATOM 0 HG21 VAL A 93 1.575 -24.911 60.759 1.00 63.43 H new ATOM 0 HG22 VAL A 93 1.851 -26.654 60.528 1.00 63.43 H new ATOM 0 HG23 VAL A 93 0.693 -25.791 59.489 1.00 63.43 H new ATOM 1218 N GLU A 94 -1.725 -28.132 63.230 1.00 44.13 N ATOM 1219 CA GLU A 94 -1.881 -28.901 64.460 1.00 35.14 C ATOM 1220 C GLU A 94 -2.744 -30.138 64.223 1.00 0.45 C ATOM 1221 O GLU A 94 -2.512 -31.193 64.813 1.00 4.25 O ATOM 1222 CB GLU A 94 -2.504 -28.033 65.554 1.00 22.43 C ATOM 1223 CG GLU A 94 -1.820 -28.171 66.904 1.00 72.32 C ATOM 1224 CD GLU A 94 -1.511 -26.830 67.541 1.00 43.34 C ATOM 1225 OE1 GLU A 94 -1.082 -25.911 66.812 1.00 72.35 O ATOM 1226 OE2 GLU A 94 -1.698 -26.700 68.769 1.00 31.11 O ATOM 0 H GLU A 94 -2.428 -27.406 63.094 1.00 44.13 H new ATOM 0 HA GLU A 94 -0.892 -29.226 64.783 1.00 35.14 H new ATOM 0 HB2 GLU A 94 -2.467 -26.989 65.243 1.00 22.43 H new ATOM 0 HB3 GLU A 94 -3.556 -28.297 65.661 1.00 22.43 H new ATOM 0 HG2 GLU A 94 -2.458 -28.748 67.573 1.00 72.32 H new ATOM 0 HG3 GLU A 94 -0.894 -28.733 66.782 1.00 72.32 H new ATOM 1231 N TYR A 95 -3.739 -29.999 63.354 1.00 63.41 N ATOM 1232 CA TYR A 95 -4.639 -31.102 63.040 1.00 21.32 C ATOM 1233 C TYR A 95 -4.068 -31.970 61.924 1.00 50.43 C ATOM 1234 O TYR A 95 -4.170 -33.197 61.961 1.00 2.22 O ATOM 1235 CB TYR A 95 -6.014 -30.567 62.634 1.00 55.41 C ATOM 1236 CG TYR A 95 -6.892 -31.601 61.967 1.00 21.22 C ATOM 1237 CD1 TYR A 95 -6.823 -31.820 60.596 1.00 34.04 C ATOM 1238 CD2 TYR A 95 -7.791 -32.359 62.707 1.00 75.10 C ATOM 1239 CE1 TYR A 95 -7.625 -32.762 59.982 1.00 73.14 C ATOM 1240 CE2 TYR A 95 -8.596 -33.305 62.101 1.00 42.55 C ATOM 1241 CZ TYR A 95 -8.509 -33.503 60.739 1.00 54.13 C ATOM 1242 OH TYR A 95 -9.309 -34.444 60.132 1.00 51.11 O ATOM 0 H TYR A 95 -3.943 -29.133 62.855 1.00 63.41 H new ATOM 0 HA TYR A 95 -4.746 -31.716 63.934 1.00 21.32 H new ATOM 0 HB2 TYR A 95 -6.523 -30.187 63.520 1.00 55.41 H new ATOM 0 HB3 TYR A 95 -5.881 -29.724 61.956 1.00 55.41 H new ATOM 0 HD1 TYR A 95 -6.130 -31.244 60.001 1.00 34.04 H new ATOM 0 HD2 TYR A 95 -7.862 -32.206 63.774 1.00 75.10 H new ATOM 0 HE1 TYR A 95 -7.561 -32.918 58.915 1.00 73.14 H new ATOM 0 HE2 TYR A 95 -9.289 -33.886 62.691 1.00 42.55 H new ATOM 0 HH TYR A 95 -9.873 -34.878 60.806 1.00 51.11 H new ATOM 1251 N VAL A 96 -3.465 -31.324 60.930 1.00 61.20 N ATOM 1252 CA VAL A 96 -2.874 -32.035 59.802 1.00 60.45 C ATOM 1253 C VAL A 96 -1.437 -32.444 60.103 1.00 41.30 C ATOM 1254 O VAL A 96 -1.114 -33.631 60.146 1.00 62.45 O ATOM 1255 CB VAL A 96 -2.898 -31.177 58.524 1.00 44.42 C ATOM 1256 CG1 VAL A 96 -1.721 -31.527 57.626 1.00 13.42 C ATOM 1257 CG2 VAL A 96 -4.215 -31.357 57.786 1.00 11.32 C ATOM 0 H VAL A 96 -3.373 -30.309 60.883 1.00 61.20 H new ATOM 0 HA VAL A 96 -3.475 -32.929 59.640 1.00 60.45 H new ATOM 0 HB VAL A 96 -2.809 -30.128 58.808 1.00 44.42 H new ATOM 0 HG11 VAL A 96 -1.753 -30.911 56.727 1.00 13.42 H new ATOM 0 HG12 VAL A 96 -0.789 -31.342 58.159 1.00 13.42 H new ATOM 0 HG13 VAL A 96 -1.776 -32.579 57.347 1.00 13.42 H new ATOM 0 HG21 VAL A 96 -4.214 -30.743 56.885 1.00 11.32 H new ATOM 0 HG22 VAL A 96 -4.338 -32.405 57.511 1.00 11.32 H new ATOM 0 HG23 VAL A 96 -5.039 -31.053 58.432 1.00 11.32 H new ATOM 1267 N SER A 97 -0.577 -31.453 60.308 1.00 5.42 N ATOM 1268 CA SER A 97 0.829 -31.708 60.601 1.00 43.04 C ATOM 1269 C SER A 97 0.987 -32.387 61.958 1.00 70.04 C ATOM 1270 O SER A 97 1.802 -33.294 62.121 1.00 40.31 O ATOM 1271 CB SER A 97 1.623 -30.401 60.577 1.00 1.20 C ATOM 1272 OG SER A 97 2.360 -30.229 61.775 1.00 75.51 O ATOM 0 H SER A 97 -0.829 -30.465 60.277 1.00 5.42 H new ATOM 0 HA SER A 97 1.219 -32.375 59.832 1.00 43.04 H new ATOM 0 HB2 SER A 97 2.303 -30.401 59.725 1.00 1.20 H new ATOM 0 HB3 SER A 97 0.942 -29.561 60.442 1.00 1.20 H new ATOM 0 HG SER A 97 1.818 -29.734 62.424 1.00 75.51 H new ATOM 1277 N GLY A 98 0.198 -31.940 62.931 1.00 64.25 N ATOM 1278 CA GLY A 98 0.265 -32.516 64.262 1.00 25.35 C ATOM 1279 C GLY A 98 -0.141 -33.976 64.285 1.00 11.34 C ATOM 1280 O GLY A 98 0.309 -34.739 65.139 1.00 31.31 O ATOM 0 H GLY A 98 -0.485 -31.191 62.822 1.00 64.25 H new ATOM 0 HA2 GLY A 98 1.281 -32.419 64.645 1.00 25.35 H new ATOM 0 HA3 GLY A 98 -0.384 -31.951 64.932 1.00 25.35 H new ATOM 1283 N ARG A 99 -0.995 -34.365 63.344 1.00 24.02 N ATOM 1284 CA ARG A 99 -1.464 -35.743 63.260 1.00 42.12 C ATOM 1285 C ARG A 99 -0.372 -36.657 62.713 1.00 0.02 C ATOM 1286 O ARG A 99 0.002 -37.644 63.346 1.00 70.13 O ATOM 1287 CB ARG A 99 -2.707 -35.828 62.374 1.00 20.23 C ATOM 1288 CG ARG A 99 -4.010 -35.882 63.155 1.00 60.53 C ATOM 1289 CD ARG A 99 -4.028 -34.859 64.279 1.00 24.40 C ATOM 1290 NE ARG A 99 -3.691 -35.455 65.569 1.00 35.24 N ATOM 1291 CZ ARG A 99 -4.557 -36.134 66.314 1.00 14.32 C ATOM 1292 NH1 ARG A 99 -5.805 -36.301 65.899 1.00 61.50 N ATOM 1293 NH2 ARG A 99 -4.174 -36.647 67.476 1.00 21.32 N ATOM 0 H ARG A 99 -1.376 -33.745 62.629 1.00 24.02 H new ATOM 0 HA ARG A 99 -1.720 -36.075 64.266 1.00 42.12 H new ATOM 0 HB2 ARG A 99 -2.728 -34.965 61.708 1.00 20.23 H new ATOM 0 HB3 ARG A 99 -2.634 -36.715 61.744 1.00 20.23 H new ATOM 0 HG2 ARG A 99 -4.847 -35.699 62.481 1.00 60.53 H new ATOM 0 HG3 ARG A 99 -4.146 -36.881 63.569 1.00 60.53 H new ATOM 0 HD2 ARG A 99 -3.321 -34.060 64.053 1.00 24.40 H new ATOM 0 HD3 ARG A 99 -5.016 -34.403 64.338 1.00 24.40 H new ATOM 0 HE ARG A 99 -2.739 -35.344 65.917 1.00 35.24 H new ATOM 0 HH11 ARG A 99 -6.102 -35.908 65.006 1.00 61.50 H new ATOM 0 HH12 ARG A 99 -6.468 -36.823 66.473 1.00 61.50 H new ATOM 0 HH21 ARG A 99 -3.214 -36.520 67.798 1.00 21.32 H new ATOM 0 HH22 ARG A 99 -4.839 -37.168 68.047 1.00 21.32 H new ATOM 1304 N VAL A 100 0.137 -36.321 61.531 1.00 64.53 N ATOM 1305 CA VAL A 100 1.187 -37.110 60.899 1.00 73.23 C ATOM 1306 C VAL A 100 2.475 -37.062 61.711 1.00 53.31 C ATOM 1307 O VAL A 100 3.319 -37.954 61.610 1.00 45.22 O ATOM 1308 CB VAL A 100 1.475 -36.615 59.469 1.00 74.15 C ATOM 1309 CG1 VAL A 100 2.432 -37.562 58.760 1.00 73.51 C ATOM 1310 CG2 VAL A 100 0.179 -36.468 58.685 1.00 14.30 C ATOM 0 H VAL A 100 -0.161 -35.508 60.993 1.00 64.53 H new ATOM 0 HA VAL A 100 0.828 -38.138 60.855 1.00 73.23 H new ATOM 0 HB VAL A 100 1.949 -35.635 59.530 1.00 74.15 H new ATOM 0 HG11 VAL A 100 2.624 -37.197 57.751 1.00 73.51 H new ATOM 0 HG12 VAL A 100 3.370 -37.612 59.313 1.00 73.51 H new ATOM 0 HG13 VAL A 100 1.988 -38.556 58.708 1.00 73.51 H new ATOM 0 HG21 VAL A 100 0.401 -36.117 57.677 1.00 14.30 H new ATOM 0 HG22 VAL A 100 -0.325 -37.433 58.631 1.00 14.30 H new ATOM 0 HG23 VAL A 100 -0.469 -35.748 59.185 1.00 14.30 H new ATOM 1320 N HIS A 101 2.622 -36.016 62.517 1.00 24.23 N ATOM 1321 CA HIS A 101 3.809 -35.852 63.350 1.00 54.22 C ATOM 1322 C HIS A 101 4.078 -37.112 64.166 1.00 51.02 C ATOM 1323 O HIS A 101 5.227 -37.441 64.459 1.00 12.31 O ATOM 1324 CB HIS A 101 3.643 -34.652 64.282 1.00 20.32 C ATOM 1325 CG HIS A 101 4.868 -34.342 65.084 1.00 63.01 C ATOM 1326 ND1 HIS A 101 5.876 -33.517 64.632 1.00 61.23 N ATOM 1327 CD2 HIS A 101 5.245 -34.751 66.318 1.00 61.31 C ATOM 1328 CE1 HIS A 101 6.820 -33.433 65.552 1.00 40.50 C ATOM 1329 NE2 HIS A 101 6.461 -34.172 66.586 1.00 55.22 N ATOM 0 H HIS A 101 1.934 -35.269 62.612 1.00 24.23 H new ATOM 0 HA HIS A 101 4.661 -35.677 62.694 1.00 54.22 H new ATOM 0 HB2 HIS A 101 3.376 -33.777 63.690 1.00 20.32 H new ATOM 0 HB3 HIS A 101 2.813 -34.843 64.962 1.00 20.32 H new ATOM 0 HD2 HIS A 101 4.692 -35.410 66.971 1.00 61.31 H new ATOM 0 HE1 HIS A 101 7.731 -32.858 65.472 1.00 40.50 H new ATOM 0 HE2 HIS A 101 6.999 -34.293 67.444 1.00 55.22 H new